Glycoside
GD140201
Name:
15-[5,6-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4-hydroxy-7,12,16-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecane-7-carboxylic acidFormula:
C37H62O12Smiles:
CC(CCC(O)(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(OC5OC(CO)C(O)C(O)C5O)CC(O)C45CC35CCC12CAglycone:
CC(CCC(O)(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 698.89 | Num_heavy_atoms: | 49 |
| TPSA: | 217.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51684
Formula: C31H52O7
Smiles:
CC(CCC(O)(CO)C(C)(C)O)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CC(O)C45CC35CCC12C| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.75 | Num_heavy_atoms: | 38 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
